N-Acetyl-S-(3-Oxopropyl)-L-Cysteine

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Properties Simple | Detailed

Formula C8H13NO4S
IUPAC Name (2r)-2-acetamido-3-(3-oxopropylsulfanyl)propanoic acid
Molecular Mass 219.258 g·mol−1
Heat of Formation -735.1 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 258.89 Å 3
Surface Area 248.18 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-acetamido-3-(3-ketopropylthio)propionic acid
  • (2r)-2-acetamido-3-(3-oxopropylsulfanyl)propanoic acid
  • (2r)-2-acetamido-3-(3-oxopropylthio)propanoic acid
  • s-(3-oxopropyl)-n-acetylcysteine
  • sopa-cys
CAS Number(s)
  • 140226-30-8
InChIKey OOMVCGSUXLINOO-ZETCQYMHSA-N
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